N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide

C23H30N4O — CID 98063822

IUPACN-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
SMILESCc1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C23H30N4O/c1-16-25-15-20(21-8-4-5-13-24-21)22(27-16)18-11-9-17(10-12-18)14-26-23(28)19-6-2-3-7-19/h4-5,8,13,15,17-19H,2-3,6-7,9-12,14H2,1H3,(H,26,28)
InChIKeyNQJBLVNKTPAUBN-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.43
Rot. Bonds5

About N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide

N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide (PubChem CID 98063822) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
PubChem CID98063822
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
SMILESCc1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C23H30N4O/c1-16-25-15-20(21-8-4-5-13-24-21)22(27-16)18-11-9-17(10-12-18)14-26-23(28)19-6-2-3-7-19/h4-5,8,13,15,17-19H,2-3,6-7,9-12,14H2,1H3,(H,26,28)
InChIKeyNQJBLVNKTPAUBN-UHFFFAOYSA-N
XLogP4.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 110216371
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 110217352
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide
CID 110217350
N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98133681
2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
CID 98133547
N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 98073085
N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide
CID 98133623
3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133554
(2S)-N-[[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
CID 98134669
(2S)-2-(2-fluorophenoxy)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98132255
2-cyclohexyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 98134399
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide (CID 98063822) is N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide is Cc1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCC3)CC2)n1.
What is the InChIKey of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
The InChIKey is NQJBLVNKTPAUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16-25-15-20(21-8-4-5-13-24-21)22(27-16)18-11-9-17(10-12-18)14-26-23(28)19-6-2-3-7-19/h4-5,8,13,15,17-19H,2-3,6-7,9-12,14H2,1H3,(H,26,28).
What are the key properties of N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 98063822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).